2-[4-[3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]phenyl]ethanoate

Systemtic Name: 2-[4-[3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]phenyl]ethanoate Openeye Name: 2-[4-[3-(5-nitro-1,3-dioxo-isoindolin-2-yl)propanoylamino]phenyl]acetate CAS Name: 2-[4-[[3-(5-nitro-1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]phenyl]acetate IUPAC Name: 2-[4-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]phenyl]acetate Traditional Name: 2-[4-[3-(1,3-diketo-5-nitro-isoindolin-2-yl)propanoylamino]phenyl]acetate Formula: C19H14N3O7- MolecularWeight: 396.33036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)[O-])NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC(=O)[O-])NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O7/c23-16(20-12-3-1-11(2-4-12)9-17(24)25)7-8-21-18(26)14-6-5-13(22(28)29)10-15(14)19(21)27/h1-6,10H,7-9H2,(H,20,23)(H,24,25)/p-1